2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone

C16H14Cl2N2O3 — CID 122247949

IUPAC2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-3-5-12(6-4-11)22-10-15(21)20-8-13(9-20)23-16-14(18)2-1-7-19-16/h1-7,13H,8-10H2
InChIKeyKXGFXAPUCSTHQO-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone (PubChem CID 122247949) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.20 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
PubChem CID122247949
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.20 g/mol
Exact Mass352.04
IUPAC Name2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-3-5-12(6-4-11)22-10-15(21)20-8-13(9-20)23-16-14(18)2-1-7-19-16/h1-7,13H,8-10H2
InChIKeyKXGFXAPUCSTHQO-UHFFFAOYSA-N
XLogP3.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]butane-1,4-dione
CID 122247841
2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-methylpropan-1-one
CID 122247952
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847
2-[1-[2-(4-propan-2-ylphenoxy)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249155
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone
CID 122248067
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 122248013
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
CID 122247810

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone (CID 122247949) is 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
The InChIKey is KXGFXAPUCSTHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-3-5-12(6-4-11)22-10-15(21)20-8-13(9-20)23-16-14(18)2-1-7-19-16/h1-7,13H,8-10H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone has a molecular weight of 353.20 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 122247949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).